1-methyl-4-(2,2,4,4-tetramethylpentyl)piperazine

C14H30N2 — CID 163906125

IUPAC1-methyl-4-(2,2,4,4-tetramethylpentyl)piperazine
SMILESCN1CCN(CC(C)(C)CC(C)(C)C)CC1
InChIInChI=1S/C14H30N2/c1-13(2,3)11-14(4,5)12-16-9-7-15(6)8-10-16/h7-12H2,1-6H3
InChIKeyKAGMOKSGAOWSTP-UHFFFAOYSA-N
MW226.41 g/mol
LogP2.70
Rot. Bonds3

About 1-methyl-4-(2,2,4,4-tetramethylpentyl)piperazine

1-methyl-4-(2,2,4,4-tetramethylpentyl)piperazine (PubChem CID 163906125) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is 1-methyl-4-(2,2,4,4-tetramethylpentyl)piperazine.

Molecular Properties

Compound Name1-methyl-4-(2,2,4,4-tetramethylpentyl)piperazine
PubChem CID163906125
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC Name1-methyl-4-(2,2,4,4-tetramethylpentyl)piperazine
SMILESCN1CCN(CC(C)(C)CC(C)(C)C)CC1
InChIInChI=1S/C14H30N2/c1-13(2,3)11-14(4,5)12-16-9-7-15(6)8-10-16/h7-12H2,1-6H3
InChIKeyKAGMOKSGAOWSTP-UHFFFAOYSA-N
XLogP2.70
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 12566800
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CID 23236212
1-(2,2-dimethylpropyl)-4-methylpiperazine;4-(2,2-dimethylpropyl)morpholine;methane
CID 162058346
1-(2,2-dimethylpropyl)-4-methylpiperazine;1-(2,2-dimethylpropyl)-4-methylpiperidine
CID 157215210
1-(3,3-dimethylbutyl)-4-methylpiperazine;ethane
CID 145236948
N-tert-butyl-2-methyl-1-(4-methylpiperazin-1-yl)propan-2-amine
CID 166832141
1-(2,2,4,4,5-pentamethylhexyl)-4-propan-2-ylpiperazine
CID 162767005
1-amino-2-methyl-3-(4-methylpiperazin-1-yl)propan-2-ol
CID 64819199
3,3-dimethyl-4-(4-methylpiperazin-1-yl)butan-2-ol
CID 66452170
1,4,7-trimethyl-10-[2-(4,7,10-trimethyl-1,4,7,10-tetrazacyclododec-1-yl)ethyl]-1,4,7,10-tetrazacyclododecane
CID 21130153
CID 170586545
CID 170586545

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(2,2,4,4-tetramethylpentyl)piperazine?
The IUPAC name of 1-methyl-4-(2,2,4,4-tetramethylpentyl)piperazine (CID 163906125) is 1-methyl-4-(2,2,4,4-tetramethylpentyl)piperazine.
What is the SMILES notation for 1-methyl-4-(2,2,4,4-tetramethylpentyl)piperazine?
The canonical SMILES for 1-methyl-4-(2,2,4,4-tetramethylpentyl)piperazine is CN1CCN(CC(C)(C)CC(C)(C)C)CC1.
What is the InChIKey of 1-methyl-4-(2,2,4,4-tetramethylpentyl)piperazine?
The InChIKey is KAGMOKSGAOWSTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-13(2,3)11-14(4,5)12-16-9-7-15(6)8-10-16/h7-12H2,1-6H3.
What are the key properties of 1-methyl-4-(2,2,4,4-tetramethylpentyl)piperazine?
1-methyl-4-(2,2,4,4-tetramethylpentyl)piperazine has a molecular weight of 226.41 g/mol, XLogP of 2.70, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(2,2,4,4-tetramethylpentyl)piperazine is sourced from PubChem (CID 163906125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).